pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.68	IUPAC digitized pKa	0	-1	Oc1cc2ccccc2cc1O	[O-]c1cc2ccccc2cc1O	mol11181	Oc1cc2ccccc2cc1O
8.55	IUPAC digitized pKa	0	-1	Oc1cc2ccccc2cc1O	[O-]c1cc2ccccc2cc1O	mol11181	Oc1cc2ccccc2cc1O
8.81	AttenGpKa training set	0	-1	Oc1cc2ccccc2cc1O	[O-]c1cc2ccccc2cc1O	mol11181	Oc1cc2ccccc2cc1O
12.5	IUPAC digitized pKa	-1	-2	[O-]c1cc2ccccc2cc1O	[O-]c1cc2ccccc2cc1[O-]	mol11181	Oc1cc2ccccc2cc1O
12.6	AttenGpKa training set	-1	-2	[O-]c1cc2ccccc2cc1O	[O-]c1cc2ccccc2cc1[O-]	mol11181	Oc1cc2ccccc2cc1O